(5-ethoxypyrimidin-4-yl)methanamine

C7H11N3O — CID 176582308

IUPAC(5-ethoxypyrimidin-4-yl)methanamine
SMILESCCOc1cncnc1CN
InChIInChI=1S/C7H11N3O/c1-2-11-7-4-9-5-10-6(7)3-8/h4-5H,2-3,8H2,1H3
InChIKeyPLVQNXPBRAEOPL-UHFFFAOYSA-N
MW153.19 g/mol
LogP0.33
Rot. Bonds3

About (5-ethoxypyrimidin-4-yl)methanamine

(5-ethoxypyrimidin-4-yl)methanamine (PubChem CID 176582308) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is (5-ethoxypyrimidin-4-yl)methanamine.

Molecular Properties

Compound Name(5-ethoxypyrimidin-4-yl)methanamine
PubChem CID176582308
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name(5-ethoxypyrimidin-4-yl)methanamine
SMILESCCOc1cncnc1CN
InChIInChI=1S/C7H11N3O/c1-2-11-7-4-9-5-10-6(7)3-8/h4-5H,2-3,8H2,1H3
InChIKeyPLVQNXPBRAEOPL-UHFFFAOYSA-N
XLogP0.33
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-ethoxypyrimidin-4-yl)methanamine?
The IUPAC name of (5-ethoxypyrimidin-4-yl)methanamine (CID 176582308) is (5-ethoxypyrimidin-4-yl)methanamine.
What is the SMILES notation for (5-ethoxypyrimidin-4-yl)methanamine?
The canonical SMILES for (5-ethoxypyrimidin-4-yl)methanamine is CCOc1cncnc1CN.
What is the InChIKey of (5-ethoxypyrimidin-4-yl)methanamine?
The InChIKey is PLVQNXPBRAEOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-2-11-7-4-9-5-10-6(7)3-8/h4-5H,2-3,8H2,1H3.
What are the key properties of (5-ethoxypyrimidin-4-yl)methanamine?
(5-ethoxypyrimidin-4-yl)methanamine has a molecular weight of 153.19 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethoxypyrimidin-4-yl)methanamine is sourced from PubChem (CID 176582308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).